Molecular Details
DICL_CP_0310697
- (2S,4R)-2-amino-4-propylpentanedioic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310697
PubChem CID
Molecular Formula
C8H15NO4 Molecular Weight
189.211 g/mol
Synonyms/Alias
[CHEMBL61997; (2S;4R)-4-propylglutamic acid; SCHEMBL1039720; 2-Amino-4-propyl-pentanedioic acid; BDBM50088230]
InChI Key
KXVTWKUIWACPEZ-RITPCOANSA-N
InChI
InChI=1S/C8H15NO4/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5-6H,2-4,9H2,1H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
IUPAC Name
(2S,4R)-2-amino-4-propylpentanedioic acid
CAS Number
174393-13-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 27 0 0 0 0 0 0 0 0999 V2000
3.5563 1.0500 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3197 0.5840 -0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2433 0.050...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit iGlu7
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 141 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not specified
Temperature
4 °C
Test Method
Binding assay ([3H] SYM-2081)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
6
logP
0.2893
Complexity
46.262
TPSA (Ų)
100.62
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
0